SCHEMBL4787518

SCHEMBL4787518

CS(=O)(=O)c1ccc(-c2nc(N)nc3c2-c2cc(NS(=O)(=O)c4ccc(F)cc4F)c(Cl)cc2CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 11/20 0.40
MTOR P42345 4/20 0.40
BRAF P15056 1/20 0.38
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
PRF1 P14222 1/20 0.36
GHSR Q92847 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4787508 0.94 PIK3CD (0.44) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4736805 0.92 PIK3CD (0.39) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4736827 0.92 CCR2 (0.40) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4739014 0.90 PI4KA (0.42) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4740239 0.90 PIK3CA (0.45) PIK3CDPIK3CAMTORBRAFPI4KA
SCHEMBL14148281 0.90 PIK3CA (0.48) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4738329 0.88 PIK3CA (0.42) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4741115 0.88 PIK3CD (0.40) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4741753 0.88 CCR2 (0.42) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4737748 0.88 PIK3C3 (0.42) PIK3CDPIK3CAMTORBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed